SCHEMBL13797403

SCHEMBL13797403

CC(C)CC(C=O)CCO

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.32
CTSK P43235 1/20 0.31
RNPEP Q9H4A4 1/20 0.30
SLC7A5 Q01650 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL276530 0.79 TSHR (0.36) ALDH1A1TSHRSMN1; SMN2MAPK1RNPEP
SCHEMBL336796 0.79
SCHEMBL9770253 0.78 TSHR (0.44) ALDH1A1TSHRSMN1; SMN2CTSK
SCHEMBL15786335 0.76 TSHR (0.35) ALDH1A1TSHRSMN1; SMN2MAPK1RNPEP
SCHEMBL29243967 0.76 TSHR (0.35) ALDH1A1TSHRSMN1; SMN2MAPK1RNPEP
SCHEMBL6544702 0.76 ALDH1A1 (0.38) ALDH1A1TSHRSMN1; SMN2
SCHEMBL20526068 0.76 ALDH1A1 (0.35) ALDH1A1ALOX15TSHRMAPK1
SCHEMBL2153458 0.75
SCHEMBL556822 0.74
SCHEMBL3122941 0.73 TSHR (0.35) TSHRSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170885-A1 NAPHTHYRIDINE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (US) 2009-07-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090170885-A1 NAPHTHYRIDINE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS KCNJ11, KCNQ5, KCNJ1 ALDH1A1 2591/4885ALOX15 2765/4885TSHR 3590/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.